基于生物信息学筛选银杏叶中的促成骨活性成分

Screening of bone promoting active ingredients in ginkgo biloba on bioinformatics

目的通过生物信息学的方法筛选银杏叶中具有促成骨作用的有效成分。方法利用TCMSP平台筛选银杏叶中的有效成分,通过文献查找MAPK和BMP等相关通路上的蛋白,利用Autodock Vina对受体与蛋白进行分子对接,并将对接结果中对接分数排名前20的化合物进行吸收、分布、代谢和排泄和毒性的预测。通过细胞增殖和RT-PCR实验验证胡萝卜苷的促成骨增殖和促进TAK1、AKT1 mRNA表达的效果。结果胡萝卜苷相对于其他化合物,具有较低的肝毒性、较低的突变性以及促进成骨细胞增殖和促进TAK1、AKT1 mRNA的表达等性质。结论银杏叶中胡萝卜苷是一种较好的促成骨活性成分,可为中药银杏叶在骨疾病方面提供思路。

Objective To screen the effective components in ginkgo biloba with bone promoting effect based on bioinformatics.Methods TCMSP platform was used to screen the effective components in ginkgo biloba,and the proteins in related pathways such as MAPK and BMP were searched.Autodock Vina was used to dock the receptor and the protein.The compounds with the top 20 docking scores in the docking results were predicted for absorption,distribution,metabolism and excretion and toxicity.Cell proliferation and RT-PCR were used to verify the effect of daucosterol on the bone proliferation and the expressions of TAK1 and AKT1 mRNA.Results Compared with other compounds,daucosterol had lower hepatotoxicity,and lower mutagenicity,and it promoted osteoblast proliferation and the expression of TAK1 and AKT1 mRNA.Conclusion Daucosterol in ginkgo biloba is a good osteogenic active component,which can provide reference for the treatment of bone diseases with ginkgo biloba.